Understanding .hdb format

User discussions
1

GROMACS version: Any
GROMACS modification: No

I am trying to add a new residue to the Amber ff14Sb force field, and as a part of it I am trying to add all the residue’s hydrogens to the force field’s aminoacids.hdb database.
Can anybody help me understand what the number in the second column (red rectangle) means or represents for the following example of THR residue?

theronine_hdb
theronine_hdb777×182 2.8 KB

This will help me add the necessary numbers for the new residue.

2

Hi,
here you might find some answers
https://manual.gromacs.org/2024.5/reference-manual/topologies/pdb2gmx-input-files.html
I hope it helps
\Alessandra

3

Thanks Alessandra, this was very helpful!